Identifier Cleaner

Convert between SMILES, InChI, InChIKey, and compound names. Supports PubChem name resolution as a fallback when the input is a common drug name.

Example: aspirin → CC(=O)Oc1ccccc1C(=O)O

Free Research Context Use this tool freely, then open the research home or demo workspace when you want project context.

Research home Demo workspace

Canonical SMILES NC1=NC(c2ccccc2)N(c2ccc(Cl)cc2)C(N)=N1

InChI InChI=1S/C15H14ClN5/c16-11-6-8-12(9-7-11)21-13(10-4-2-1-3-5-10)19-14(17)20-15(21)18/h1-9,13H,(H4,17,18,19,20)

InChIKey VNPFRENABXECQF-UHFFFAOYSA-N

Molecular Weight

299.77